Mrv1652307312018382D 19 18 0 0 1 0 999 V2000 -6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3776 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 2.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0513 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 2 1 0 0 0 0 17 3 1 0 0 0 0 17 14 1 0 0 0 0 18 4 1 6 0 0 0 18 15 1 0 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 M END > <DATABASE_ID> CDB000247 > <DATABASE_NAME> CDB > <SMILES> [H][C@@](C)(CCCCCCCCCC)CCCC(C)C > <INCHI_IDENTIFIER> InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-15-18(4)16-13-14-17(2)3/h17-18H,5-16H2,1-4H3/t18-/m1/s1 > <INCHI_KEY> MMHVNKBJGUZQKC-GOSISDBHSA-N > <FORMULA> C18H38 > <MOLECULAR_WEIGHT> 254.502 > <EXACT_MASS> 254.297351224 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 56 > <JCHEM_AVERAGE_POLARIZABILITY> 36.812226884220074 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (6R)-2,6-dimethylhexadecane > <ALOGPS_LOGP> 9.07 > <JCHEM_LOGP> 8.150862735333334 > <ALOGPS_LOGS> -7.38 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 84.51539999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 13 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.06e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> (6R)-2,6-dimethylhexadecane > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB000247 > <GENERIC_NAME> 2,6-Dimethyl-hexadecane $$$$